Materials Data on Sm2Co17 by Materials Project

Abstract

Sm2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Sm–Co bond distances ranging from 2.98–3.27 Å. In the second Sm site, Sm is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Sm–Co bond distances ranging from 2.91–3.16 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Sm and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.66 Å. In the second Co site, Co is bonded to two equivalent Sm and ten Co atoms to form CoSm2Co10 cuboctahedra that share corners with twenty-two CoSm2Co10 cuboctahedra, edges with ten CoSm3Co9 cuboctahedra, and faces with eighteen CoSm2Co10 cuboctahedra. There are four shorter (2.40 Å) and four longer (2.42 Å) Co–Co bond lengths. In the third Co site, Co is bonded to two Sm and ten Co atoms to form a mixture of distorted edge, face, and corner-sharing CoSm2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.34–2.58 Å. In the fourth Co site, Co is bonded to three Sm and nine Co atoms to form a mixture of distorted edge, face, and corner-sharing CoSm3Co9 cuboctahedra. Both Co–Co bond lengths are 2.44 Å.